[6-(difluoromethoxy)pyridazin-3-yl]-(4-fluoro-3-methylphenyl)methanol

C13H11F3N2O2 — CID 123305103

IUPAC[6-(difluoromethoxy)pyridazin-3-yl]-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)c2ccc(OC(F)F)nn2)ccc1F
InChIInChI=1S/C13H11F3N2O2/c1-7-6-8(2-3-9(7)14)12(19)10-4-5-11(18-17-10)20-13(15)16/h2-6,12-13,19H,1H3
InChIKeyIGOPRMNDNKIXEQ-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.61
Rot. Bonds4

About [6-(difluoromethoxy)pyridazin-3-yl]-(4-fluoro-3-methylphenyl)methanol

[6-(difluoromethoxy)pyridazin-3-yl]-(4-fluoro-3-methylphenyl)methanol (PubChem CID 123305103) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is [6-(difluoromethoxy)pyridazin-3-yl]-(4-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name[6-(difluoromethoxy)pyridazin-3-yl]-(4-fluoro-3-methylphenyl)methanol
PubChem CID123305103
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name[6-(difluoromethoxy)pyridazin-3-yl]-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)c2ccc(OC(F)F)nn2)ccc1F
InChIInChI=1S/C13H11F3N2O2/c1-7-6-8(2-3-9(7)14)12(19)10-4-5-11(18-17-10)20-13(15)16/h2-6,12-13,19H,1H3
InChIKeyIGOPRMNDNKIXEQ-UHFFFAOYSA-N
XLogP2.61
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethoxy)pyridazin-3-yl]-(4-fluoro-3-methylphenyl)methanol?
The IUPAC name of [6-(difluoromethoxy)pyridazin-3-yl]-(4-fluoro-3-methylphenyl)methanol (CID 123305103) is [6-(difluoromethoxy)pyridazin-3-yl]-(4-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for [6-(difluoromethoxy)pyridazin-3-yl]-(4-fluoro-3-methylphenyl)methanol?
The canonical SMILES for [6-(difluoromethoxy)pyridazin-3-yl]-(4-fluoro-3-methylphenyl)methanol is Cc1cc(C(O)c2ccc(OC(F)F)nn2)ccc1F.
What is the InChIKey of [6-(difluoromethoxy)pyridazin-3-yl]-(4-fluoro-3-methylphenyl)methanol?
The InChIKey is IGOPRMNDNKIXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-7-6-8(2-3-9(7)14)12(19)10-4-5-11(18-17-10)20-13(15)16/h2-6,12-13,19H,1H3.
What are the key properties of [6-(difluoromethoxy)pyridazin-3-yl]-(4-fluoro-3-methylphenyl)methanol?
[6-(difluoromethoxy)pyridazin-3-yl]-(4-fluoro-3-methylphenyl)methanol has a molecular weight of 284.24 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(difluoromethoxy)pyridazin-3-yl]-(4-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 123305103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).